5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine

C11H11FN2S — CID 164892371

IUPAC5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(F)c(-c2cnc(N)s2)cc1C
InChIInChI=1S/C11H11FN2S/c1-6-3-8(9(12)4-7(6)2)10-5-14-11(13)15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyLALCKKYUWVSNEJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.15
Rot. Bonds1

About 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine

5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 164892371) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID164892371
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(F)c(-c2cnc(N)s2)cc1C
InChIInChI=1S/C11H11FN2S/c1-6-3-8(9(12)4-7(6)2)10-5-14-11(13)15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyLALCKKYUWVSNEJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine (CID 164892371) is 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine is Cc1cc(F)c(-c2cnc(N)s2)cc1C.
What is the InChIKey of 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LALCKKYUWVSNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-6-3-8(9(12)4-7(6)2)10-5-14-11(13)15-10/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine?
5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 222.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164892371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).